4-Pyrimidinol | CAS No. 51953-18-5

4-Pyrimidinol

Basic Information

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CAS Number

51953-18-5

Molecular Formula

C4H4N2O

Molecular Weight

96.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

227.2°C at 760 mmHg

SMILES

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C1=CN=CNC1=O

InChI

InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)

InChIKey

DNCYBUMDUBHIJZ-UHFFFAOYSA-N

LogP

0.1821999999999999

Topological Polar Surface Area

46.010000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

137

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-Pyrimidinol (VAN)
SY046617
4-Pyrimidinol
H1000
W-202804
4-Pyrimidone
4-(lH)-pyrimidinone
4(3H-Pyrimidone)
NSC157911
AC-25243
FT-0648609
4-Oxopyrimidine
NSC 1575
MFCD00006664
AC-907/30002018
AC-943
pyrimidin-4-ol
4(3H)-Pyrimidinone, >=98%
4-Oxypyrimidine
A826863
AI3-52024
51953-18-5
EN300-67372
SY002707
DTXSID5063524
K43V90OY4L
A7644
Uraeil
NSC 157911
pyrimidine-4(3h)-one
4-Hydroxypyrimidine pound>>4-Pyrimidinol pound>>4(3)-Pyrimidone

MDL Number

MFCD00038024

FAQ

What are the physical and chemical properties of 4-Pyrimidinol (CAS: 51953-18-5)?

4-Pyrimidinol (CAS: 51953-18-5) is a white crystalline solid with a molecular weight of 106.12 g/mol. It has a solubility of 3 g/L in water and is slightly soluble in ethanol. It is least reactive towards strong acids and bases, but can undergo nucleophilic substitution and condensation reactions.

How is 4-Pyrimidinol (CAS: 51953-18-5) typically synthesized?

4-Pyrimidinol can be synthesized through the reduction of 4-pyrimidone with lithium aluminum hydride (LAH) as a reducing agent. The reaction is conducted under anhydrous conditions to ensure purity and high yield. Alternative methods include hydrogenation of 4-pyridone-2-carbaldehyde.

What industries use 4-Pyrimidinol (CAS: 51953-18-5)?

4-Pyrimidinol is used in the pharmaceutical industry for the synthesis of antiviral drugs and as an intermediate in the production of other organic compounds. It also finds applications in the polymer industry for the development of advanced materials and in the electronics industry for semiconductor applications.

What precautions should be taken when handling 4-Pyrimidinol (CAS: 51953-18-5)?

When handling 4-Pyrimidinol (CAS: 51953-18-5), it is crucial to wear personal protective equipment (PPE) such as gloves and safety glasses. Store it in a well-ventilated area and use a fume hood during operations to minimize inhalation. In case of a spill, neutralize with an appropriate acid or base and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed information.